Glycoside
...
GD116021

Name:
3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyl-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde

Formula:
C42H64O19

Smiles:
COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1

Sugarmoiety:
COC1C(O)C(C)OC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 9 FractionCSP3: 0.9
AlogP: -2.06 Num_rotatable_bonds: 11
MolWt: 872.96 Num_heavy_atoms: 61
TPSA: 290.05 NumAromaticRings: 0

Unique Aglycone
AD01563
Formula: C23H32O5

Smiles:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 2.78 Num_rotatable_bonds: 2
MolWt: 388.5 Num_heavy_atoms: 28
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD04754

COC1C(O)C(C)OC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O